(2S,3R)-2-phenylheptan-3-amine

C13H21N — CID 11252501

IUPAC(2S,3R)-2-phenylheptan-3-amine
SMILESCCCC[C@@H](N)[C@@H](C)c1ccccc1
InChIInChI=1S/C13H21N/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10,14H2,1-2H3/t11-,13+/m0/s1
InChIKeyAKUPZOOOUBWKBK-WCQYABFASA-N
MW191.32 g/mol
LogP3.31
Rot. Bonds5

About (2S,3R)-2-phenylheptan-3-amine

(2S,3R)-2-phenylheptan-3-amine (PubChem CID 11252501) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2S,3R)-2-phenylheptan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-phenylheptan-3-amine
PubChem CID11252501
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2S,3R)-2-phenylheptan-3-amine
SMILESCCCC[C@@H](N)[C@@H](C)c1ccccc1
InChIInChI=1S/C13H21N/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10,14H2,1-2H3/t11-,13+/m0/s1
InChIKeyAKUPZOOOUBWKBK-WCQYABFASA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diphenylhexan-2-amine;hydrate
CID 173442178
(2R)-2-phenylheptan-3-ol
CID 91322845
1,1-diphenylheptan-2-amine;hydrate
CID 173442268
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
1-phenylhexan-1-amine;hydrochloride
CID 3033249
2-methyl-1,1-diphenylhexan-3-amine
CID 83047736
1-phenyldecan-1-amine
CID 43175860
CID 173139841
CID 173139841

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-phenylheptan-3-amine?
The IUPAC name of (2S,3R)-2-phenylheptan-3-amine (CID 11252501) is (2S,3R)-2-phenylheptan-3-amine.
What is the SMILES notation for (2S,3R)-2-phenylheptan-3-amine?
The canonical SMILES for (2S,3R)-2-phenylheptan-3-amine is CCCC[C@@H](N)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S,3R)-2-phenylheptan-3-amine?
The InChIKey is AKUPZOOOUBWKBK-WCQYABFASA-N. The full InChI is InChI=1S/C13H21N/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10,14H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (2S,3R)-2-phenylheptan-3-amine?
(2S,3R)-2-phenylheptan-3-amine has a molecular weight of 191.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-phenylheptan-3-amine is sourced from PubChem (CID 11252501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).